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setup.py
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"""Setup script for package."""
import pathlib
from setuptools import find_namespace_packages, setup
# The directory containing this file
HERE = pathlib.Path(__file__).parent
# The text of the README file
README = (HERE / "README.md").read_text()
# This call to setup() does all the work
setup(
name="CaMCaNN",
version="0.0.1",
description="Group contribution methods for CMC prediction.",
long_description=README,
long_description_content_type="text/markdown",
url="https://github.com/a-ws-m/camcann",
author="Alexander Moriarty",
author_email="[email protected]",
license="AGPLv3",
keywords=[
"keras",
"tensorflow",
"critical micelle concentration",
"surfactants",
"machine learning",
],
classifiers=[
"Intended Audience :: Science/Research",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Topic :: Scientific/Engineering :: Artificial Intelligence",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Visualization"
],
packages=find_namespace_packages(include=["camcann*"]),
include_package_data=True,
install_requires=[
"rdkit",
"tensorflow",
"tensorflow-probability",
"scikit-learn",
"pandas",
"scipy",
"seaborn",
"spektral",
"keras_tuner",
"gpflow",
],
python_requires=">=3.6",
)